Research Topics
Crystal Engineering
We are interested in understanding the relationship between crystalline properties (e.g., size, shape and polymorphism) and the main quality attibutes of particulate products, such as solubility, surface chemistry and bioavailability. To do so we apply multiple characterization techniques including X-ray scattering and tomography, atomic force microscopy, polarized optical and scanning electron microscopy, thermal characterization (DSC, TGA) and Raman/IR spectroscopy.
Process Analytical Technology
Crystallization processes, especially in industrial environments, are complex systems of multiple phases and components. Our approach is the use of multiple PAT tools (e.g., in situ Raman specroscopy, imaging, laser backscattering) and data fusion and integration strategies, including machine learning, for the better understanding and monitoring of such complex processes.
Particle-based Formulations
Crystalline particles can be used for the stabilization of multiphase formulations such as emulsions, gels and foams. Our group is applying the principles of crystal engineering to design crystals with tailored properties for the design of specific formulations. Our compounds of interest are nutraceutical molecules (e.g., polyphenols) and natural crystalline materials such as fats, waxes and cellulose.
Crystallization Process Design
We work with crystallizers of a wide range of volumes, from few uL to 1L. With the aid of PAT tools such as in situ Raman and turbidity we are able to design crystallization processes (e.g., cooling, antisolvent, reactive) to reach target particles properties (shape & size distribution, solid form).
Publications
Adv. Mater. Interfaces 2023, 2300190
Commun. Chem. 2023, 6, 84.
Langmuir 2022, 38, 4, 1638–1650
Cryst. Growth Des. 2022, 22, 2, 1371-1383
Cryst. Growth Des. 2022, 22, 10, 610-6113
Open Data
Autor(s): Simone Elena, Preston Janine, Parisi Emmanuele, Murray Brent, Tyler Arwen
Published in: Zenodo
Autor(s): Simone Elena
Published in: Cambridge Crystallographic Data Centre
Autor(s): Tyson, Bradley; Pask, Christopher M; George, Neil; Simone, Elena
Published in: Cambridge Crystallographic Data Centre
Autor(s): Tyson, Bradley; Pask, Christopher M; George, Neil; Simone, Elena
Published in: Cambridge Crystallographic Data Centre
Autor(s): Tyson, Bradley; Pask, Christopher M; George, Neil; Simone, Elena
Published in: Cambridge Crystallographic Data Centre
Autor(s): Tyson, Bradley; Pask, Christopher M; George, Neil; Simone, Elena
Published in: Cambridge Crystallographic Data Centre
Autor(s): Tyson, Bradley; Pask, Christopher M; George, Neil; Simone, Elena
Published in: Cambridge Crystallographic Data Centre
Autor(s): Tyson, Bradley; Pask, Christopher M; George, Neil; Simone, Elena
Published in: Zenodo
Autor(s): Metilli, Lorenzo; Storm, Malte; Marathe, Shashidara; Lazidis, Aris; Marty-Terrade, Stephanie; Simone, Elena
Published in: Zenodo
Autor(s): Panayiotis, Kalitou; Ian Rosbottom; Vikram, Karde; Jerry Heng; Simone, Elena
Published in: Zenodo
Autor(s): P. Klitou, E. Parisi, S. Bordignon, F. Bravetti, I. Rosbottom, M. Dell’Aera, C. Cuocci, M. R. Chierotti, A. Altomare, E. Simone
Published in: Zenodo
Autor(s): P. Klitou, E. Parisi, S. Bordignon, F. Bravetti, I. Rosbottom, M. Dell’Aera, C. Cuocci, M. R. Chierotti, A. Altomare, E. Simone
Published in: Zenodo